2-amino-4-methoxy-N-(oxan-4-yl)benzamide

C13H18N2O3 — CID 89025989

IUPAC2-amino-4-methoxy-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCOCC2)c(N)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-2-3-11(12(14)8-10)13(16)15-9-4-6-18-7-5-9/h2-3,8-9H,4-7,14H2,1H3,(H,15,16)
InChIKeyGEAVDOPLMTWJHQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-4-methoxy-N-(oxan-4-yl)benzamide

2-amino-4-methoxy-N-(oxan-4-yl)benzamide (PubChem CID 89025989) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(oxan-4-yl)benzamide
PubChem CID89025989
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-4-methoxy-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCOCC2)c(N)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-2-3-11(12(14)8-10)13(16)15-9-4-6-18-7-5-9/h2-3,8-9H,4-7,14H2,1H3,(H,15,16)
InChIKeyGEAVDOPLMTWJHQ-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
CID 115413365
2-amino-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 115413150
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
2-amino-N-(2,3-dimethylcyclopentyl)-4-methoxybenzamide
CID 115413379
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-(dicyclopropylmethyl)-4-methoxybenzamide
CID 115412967
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-amino-4-methoxy-N-(oxan-4-yl)benzamide (CID 89025989) is 2-amino-4-methoxy-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-(oxan-4-yl)benzamide is COc1ccc(C(=O)NC2CCOCC2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(oxan-4-yl)benzamide?
The InChIKey is GEAVDOPLMTWJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-2-3-11(12(14)8-10)13(16)15-9-4-6-18-7-5-9/h2-3,8-9H,4-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-methoxy-N-(oxan-4-yl)benzamide?
2-amino-4-methoxy-N-(oxan-4-yl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 89025989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).